Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
Journal article, 2018
Author
Yang Jiao
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Elsebeth Schröder
Chalmers, Microtechnology and Nanoscience (MC2), Quantum Device Physics
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Journal of Chemical Physics
0021-9606 (ISSN) 1089-7690 (eISSN)
Vol. 148 19 194115Pollutant physisorption and weak chemisorption - atomic-scale theory and calculations
Swedish Research Council (VR) (2014-5289), 2015-01-01 -- 2018-12-31.
Consistent-exchange van der Waals density functional studies of bonding, morphology changes, and optical response in molecular energy systems
Swedish Research Council (VR) (2014-4310), 2015-01-01 -- 2018-12-31.
Areas of Advance
Nanoscience and Nanotechnology
Materials Science
Subject Categories
Physical Chemistry
Atom and Molecular Physics and Optics
Other Physics Topics
Theoretical Chemistry
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1063/1.5012870